SCHEMBL1636013

SCHEMBL1636013

CCSc1c(C(F)(F)F)ccc(C(=O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.40
DAO P14920 1/20 0.37
NOTUM Q6P988 3/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
DHODH Q02127 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTGER4 P35408 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GRIK1 P39086 1/20 0.34
SORT1 Q99523 2/20 0.33
ASPH Q12797 1/20 0.33
CTSS P25774 1/20 0.33
USP2 O75604 1/20 0.33
CYP2C19 P33261 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23283981 0.85 DAO (0.37) TAS2R14DAONOTUMRXRARXRB
SCHEMBL412257 0.83 TAS2R14 (0.42) TAS2R14DAONOTUMRXRARXRB
SCHEMBL1779061 0.82 TAS2R14 (0.36) TAS2R14NOTUMRXRARXRBPTGER4
SCHEMBL10053348 0.77 TAS2R14 (0.51) TAS2R14DAONOTUMRXRARXRB
SCHEMBL598479 0.76 ALDH1A1 (0.42) NOTUMKDM4EALDH1A1HPGDUSP2
SCHEMBL23284003 0.76 KIF11 (0.37) DAOALDH1A1CTSSCYP2C19
SCHEMBL8494765 0.75 PTGDR2 (0.45) TAS2R14RXRARXRBKDM4EALDH1A1
SCHEMBL1634766 0.74 RAB9A (0.36) ALDH1A1CYP2C19
SCHEMBL30634615 0.74 TAS2R14 (0.45) TAS2R14DAONOTUMRXRARXRB
SCHEMBL27466963 0.74 TAS2R14 (0.45) TAS2R14DAONOTUMRXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932211-B2 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
EP-2137160-B1 4-(4-TRIFLUOROMETHYL-3-THIOBENZOYL)PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-10-27 EP disclosed
EP-2137160-A1 4-(4-TRIFLUOROMETHYL-3-THIOBENZOYL)PYRAZOLES, AND USE THEREOF AS HERBICIDES Bayer CropScience AG (DE) 2009-12-30 EP disclosed
US-20090069184-A1 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides BAYER CROPSCIENCE AG (DE) 2009-03-12 US disclosed
WO-2008125214-A1 4-(4-TRIFLUOROMETHYL-3-THIOBENZOYL)PYRAZOLES, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-10-23 WO disclosed
EP-1980556-A1 4-(4-trifluor methyl-3-thiobenzoyl) pyrazoles and their application as herbicides Bayer CropScience AG (DE) 2008-10-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069184-A1 4-(4-trifluoromethyl-3-thiobenzoyl)pyrazoles and their use as herbicides TH, DDT, CYP4X1 TAS2R14 442/4885DAO 169/4885NOTUM 1266/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.